N-TERT-BUTYL-N'-(4-ETHYLBENZOYL)-1-NAPHTHOHYDRAZIDE

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ZWMFZYFOLFXETA-UHFFFAOYSA-N
Smiles CCc1ccc(cc1)C(=O)NN(C(=O)c2cccc3ccccc23)C(C)(C)C
InChI
InChI=1S/C24H26N2O2/c1-5-17-13-15-19(16-14-17)22(27)25-26(24(2,3)4)23(28)21-12-8-10-18-9-6-7-11-20(18)21/h6-16H,5H2,1-4H3,(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26N2O2
Molecular Weight 374.48
AlogP 4.86
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 49.41
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bombyx mori
13.18 - - - -
Drosophila melanogaster
10471.29 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL2286703
PubChem 10499663
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